# generated using pymatgen
data_BaLi2Ca
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.56475329
_cell_length_b   13.89841328
_cell_length_c   13.89841290
_cell_angle_alpha   58.96529999
_cell_angle_beta   58.40094979
_cell_angle_gamma   58.40095016
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLi2Ca
_chemical_formula_sum   'Ba1 Li2 Ca1'
_cell_volume   1925.07544503
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.50000000  -0.00000000  -0.00000000  1
  Li  Li1  1  0.76397607  0.00000000  0.00000000  1
  Li  Li2  1  0.23602393  1.00000000  1.00000000  1
  Ca  Ca3  1  0.00000000  -0.00000000  -0.00000000  1
